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PubMed code 18438986

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412149
PNG
(CHEMBL497967)
Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C20H23N3O/c24-19(20-10-13-7-14(11-20)9-15(8-13)12-20)23-22-18-5-1-4-17-16(18)3-2-6-21-17/h1-6,13-15,22H,7-12H2,(H,23,24)
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n/an/a 5.01n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in differentiated human THP1 cells assessed as inhibition of benzoyl-ATP-induced IL1...

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412149
PNG
(CHEMBL497967)
Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C20H23N3O/c24-19(20-10-13-7-14(11-20)9-15(8-13)12-20)23-22-18-5-1-4-17-16(18)3-2-6-21-17/h1-6,13-15,22H,7-12H2,(H,23,24)
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n/an/a 10.2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412145
PNG
(CHEMBL523873)
Show SMILES ClC12CC3CC(C1)CC(C3)(C2)C(=O)NNc1cccc2ncccc12 |TLB:9:8:4.3.2:6,11:8:4:2.1.6,11:8:4.3.2:6,THB:9:3:6:8.7.10,10:8:4:2.1.6,10:1:4:8.7.9,0:1:4:8.7.9|
Show InChI InChI=1S/C20H22ClN3O/c21-20-10-13-7-14(11-20)9-19(8-13,12-20)18(25)24-23-17-5-1-4-16-15(17)3-2-6-22-16/h1-6,13-14,23H,7-12H2,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412155
PNG
(CHEMBL496299)
Show SMILES Clc1ccccc1NNC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C17H21ClN2O/c18-14-3-1-2-4-15(14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21)
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n/an/a 11.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412162
PNG
(CHEMBL522067)
Show SMILES Cc1ccccc1NNC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C18H24N2O/c1-12-4-2-3-5-16(12)19-20-17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15,19H,6-11H2,1H3,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412137
PNG
(CHEMBL523548)
Show SMILES CC1(CC2CC1C=C2)C(=O)NNc1cccc2ncccc12 |c:7,TLB:0:1:4:7.6,THB:8:1:4:7.6|
Show InChI InChI=1S/C18H19N3O/c1-18(11-12-7-8-13(18)10-12)17(22)21-20-16-6-2-5-15-14(16)4-3-9-19-15/h2-9,12-13,20H,10-11H2,1H3,(H,21,22)
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n/an/a 18.6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412144
PNG
(CHEMBL494625)
Show SMILES CCC12CC3CC(C1)CC(C3)(C2)C(=O)NNc1cccc2ncccc12 |TLB:10:9:5.4.3:7,12:9:5:3.2.7,12:9:5.4.3:7,THB:10:4:7:9.8.11,1:2:5:9.8.10,11:9:5:3.2.7,11:2:5:9.8.10|
Show InChI InChI=1S/C22H27N3O/c1-2-21-10-15-9-16(11-21)13-22(12-15,14-21)20(26)25-24-19-7-3-6-18-17(19)5-4-8-23-18/h3-8,15-16,24H,2,9-14H2,1H3,(H,25,26)
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n/an/a 22.9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412138
PNG
(CHEMBL451353)
Show SMILES CC1CCC(C)(C(=O)NNc2cccc3ncccc23)C1(C)C
Show InChI InChI=1S/C19H25N3O/c1-13-10-11-19(4,18(13,2)3)17(23)22-21-16-9-5-8-15-14(16)7-6-12-20-15/h5-9,12-13,21H,10-11H2,1-4H3,(H,22,23)
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n/an/a 27.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412147
PNG
(CHEMBL451692)
Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC1CC(C2)C3 |TLB:19:18:22.20.21:15,THB:19:20:15:17.18|
Show InChI InChI=1S/C19H21N3O/c23-18(19-10-12-7-13(11-19)9-14(19)8-12)22-21-17-5-1-4-16-15(17)3-2-6-20-16/h1-6,12-14,21H,7-11H2,(H,22,23)
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n/an/a 27.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412162
PNG
(CHEMBL522067)
Show SMILES Cc1ccccc1NNC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C18H24N2O/c1-12-4-2-3-5-16(12)19-20-17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15,19H,6-11H2,1H3,(H,20,21)
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n/an/a 28.2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412137
PNG
(CHEMBL523548)
Show SMILES CC1(CC2CC1C=C2)C(=O)NNc1cccc2ncccc12 |c:7,TLB:0:1:4:7.6,THB:8:1:4:7.6|
Show InChI InChI=1S/C18H19N3O/c1-18(11-12-7-8-13(18)10-12)17(22)21-20-16-6-2-5-15-14(16)4-3-9-19-15/h2-9,12-13,20H,10-11H2,1H3,(H,21,22)
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n/an/a 31.6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412164
PNG
(CHEMBL496085)
Show SMILES Cc1ccccc1NNC(=O)C1CCCCCC1
Show InChI InChI=1S/C15H22N2O/c1-12-8-6-7-11-14(12)16-17-15(18)13-9-4-2-3-5-10-13/h6-8,11,13,16H,2-5,9-10H2,1H3,(H,17,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412155
PNG
(CHEMBL496299)
Show SMILES Clc1ccccc1NNC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C17H21ClN2O/c18-14-3-1-2-4-15(14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412150
PNG
(CHEMBL525541)
Show SMILES O=C(NNc1cccc2cnccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C20H23N3O/c24-19(20-9-13-6-14(10-20)8-15(7-13)11-20)23-22-18-3-1-2-16-12-21-5-4-17(16)18/h1-5,12-15,22H,6-11H2,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412154
PNG
(CHEMBL523908)
Show SMILES Clc1cccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)c1Cl |TLB:8:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C17H20Cl2N2O/c18-13-2-1-3-14(15(13)19)20-21-16(22)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,20H,4-9H2,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412145
PNG
(CHEMBL523873)
Show SMILES ClC12CC3CC(C1)CC(C3)(C2)C(=O)NNc1cccc2ncccc12 |TLB:9:8:4.3.2:6,11:8:4:2.1.6,11:8:4.3.2:6,THB:9:3:6:8.7.10,10:8:4:2.1.6,10:1:4:8.7.9,0:1:4:8.7.9|
Show InChI InChI=1S/C20H22ClN3O/c21-20-10-13-7-14(11-20)9-19(8-13,12-20)18(25)24-23-17-5-1-4-16-15(17)3-2-6-22-16/h1-6,13-14,23H,7-12H2,(H,24,25)
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n/an/a 35.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412165
PNG
(CHEMBL509756)
Show SMILES Cc1ccccc1NNC(=O)CC1CCCCC1
Show InChI InChI=1S/C15H22N2O/c1-12-7-5-6-10-14(12)16-17-15(18)11-13-8-3-2-4-9-13/h5-7,10,13,16H,2-4,8-9,11H2,1H3,(H,17,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412158
PNG
(CHEMBL505953)
Show SMILES Fc1ccccc1NNC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C17H21FN2O/c18-14-3-1-2-4-15(14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412149
PNG
(CHEMBL497967)
Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C20H23N3O/c24-19(20-10-13-7-14(11-20)9-15(8-13)12-20)23-22-18-5-1-4-17-16(18)3-2-6-21-17/h1-6,13-15,22H,7-12H2,(H,23,24)
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n/an/a 44.7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412164
PNG
(CHEMBL496085)
Show SMILES Cc1ccccc1NNC(=O)C1CCCCCC1
Show InChI InChI=1S/C15H22N2O/c1-12-8-6-7-11-14(12)16-17-15(18)13-9-4-2-3-5-10-13/h6-8,11,13,16H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a 49.0n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412142
PNG
(CHEMBL493802)
Show SMILES COc1ccc(cc1)C1(CCCCC1)C(=O)NNc1cccc2ncccc12
Show InChI InChI=1S/C23H25N3O2/c1-28-18-12-10-17(11-13-18)23(14-3-2-4-15-23)22(27)26-25-21-9-5-8-20-19(21)7-6-16-24-20/h5-13,16,25H,2-4,14-15H2,1H3,(H,26,27)
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n/an/a 51.3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412154
PNG
(CHEMBL523908)
Show SMILES Clc1cccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)c1Cl |TLB:8:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C17H20Cl2N2O/c18-13-2-1-3-14(15(13)19)20-21-16(22)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,20H,4-9H2,(H,21,22)
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n/an/a 51.3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412148
PNG
(CHEMBL523540)
Show SMILES Clc1ccc2c(NNC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:8:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C20H22ClN3O/c21-18-5-4-15-16(22-18)2-1-3-17(15)23-24-19(25)20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14,23H,6-11H2,(H,24,25)
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n/an/a 51.3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412142
PNG
(CHEMBL493802)
Show SMILES COc1ccc(cc1)C1(CCCCC1)C(=O)NNc1cccc2ncccc12
Show InChI InChI=1S/C23H25N3O2/c1-28-18-12-10-17(11-13-18)23(14-3-2-4-15-23)22(27)26-25-21-9-5-8-20-19(21)7-6-16-24-20/h5-13,16,25H,2-4,14-15H2,1H3,(H,26,27)
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n/an/a 52.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412147
PNG
(CHEMBL451692)
Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC1CC(C2)C3 |TLB:19:18:22.20.21:15,THB:19:20:15:17.18|
Show InChI InChI=1S/C19H21N3O/c23-18(19-10-12-7-13(11-19)9-14(19)8-12)22-21-17-5-1-4-16-15(17)3-2-6-20-16/h1-6,12-14,21H,7-11H2,(H,22,23)
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n/an/a 52.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412160
PNG
(CHEMBL496499)
Show SMILES Cc1ccc(C)c(NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C19H26N2O/c1-12-3-4-13(2)17(5-12)20-21-18(22)19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16,20H,6-11H2,1-2H3,(H,21,22)
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n/an/a 57.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412146
PNG
(CHEMBL521858)
Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)NNc1cccc2ncccc12 |TLB:6:7:5.4.10:11,THB:6:5:7.12.8:11,8:7:4:10.9.11,8:9:6.7.12:4|
Show InChI InChI=1S/C21H25N3O/c25-20(13-21-10-14-7-15(11-21)9-16(8-14)12-21)24-23-19-5-1-4-18-17(19)3-2-6-22-18/h1-6,14-16,23H,7-13H2,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412139
PNG
(CHEMBL523385)
Show SMILES Fc1ccc(cc1)C1(CCCCC1)C(=O)NNc1cccc2ncccc12
Show InChI InChI=1S/C22H22FN3O/c23-17-11-9-16(10-12-17)22(13-2-1-3-14-22)21(27)26-25-20-8-4-7-19-18(20)6-5-15-24-19/h4-12,15,25H,1-3,13-14H2,(H,26,27)
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n/an/a 70.8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412166
PNG
(CHEMBL496088)
Show SMILES Cc1ccccc1NNC(=O)C1(C)CCCCC1
Show InChI InChI=1S/C15H22N2O/c1-12-8-4-5-9-13(12)16-17-14(18)15(2)10-6-3-7-11-15/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3,(H,17,18)
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n/an/a 70.8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412159
PNG
(CHEMBL522068)
Show SMILES O=C(NNc1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C17H22N2O/c20-16(19-18-15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,18H,6-11H2,(H,19,20)
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n/an/a 110n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412138
PNG
(CHEMBL451353)
Show SMILES CC1CCC(C)(C(=O)NNc2cccc3ncccc23)C1(C)C
Show InChI InChI=1S/C19H25N3O/c1-13-10-11-19(4,18(13,2)3)17(23)22-21-16-9-5-8-15-14(16)7-6-12-20-15/h5-9,12-13,21H,10-11H2,1-4H3,(H,22,23)
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n/an/a 123n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412163
PNG
(CHEMBL496087)
Show SMILES Cc1ccccc1NNC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-15-9-5-6-12-17(15)20-21-18(22)19(13-7-8-14-19)16-10-3-2-4-11-16/h2-6,9-12,20H,7-8,13-14H2,1H3,(H,21,22)
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n/an/a 132n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412160
PNG
(CHEMBL496499)
Show SMILES Cc1ccc(C)c(NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C19H26N2O/c1-12-3-4-13(2)17(5-12)20-21-18(22)19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16,20H,6-11H2,1-2H3,(H,21,22)
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n/an/a 135n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412140
PNG
(CHEMBL494815)
Show SMILES Fc1cccc(c1)C1(CCCCC1)C(=O)NNc1cccc2ncccc12
Show InChI InChI=1S/C22H22FN3O/c23-17-8-4-7-16(15-17)22(12-2-1-3-13-22)21(27)26-25-20-11-5-10-19-18(20)9-6-14-24-19/h4-11,14-15,25H,1-3,12-13H2,(H,26,27)
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n/an/a 141n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412144
PNG
(CHEMBL494625)
Show SMILES CCC12CC3CC(C1)CC(C3)(C2)C(=O)NNc1cccc2ncccc12 |TLB:10:9:5.4.3:7,12:9:5:3.2.7,12:9:5.4.3:7,THB:10:4:7:9.8.11,1:2:5:9.8.10,11:9:5:3.2.7,11:2:5:9.8.10|
Show InChI InChI=1S/C22H27N3O/c1-2-21-10-15-9-16(11-21)13-22(12-15,14-21)20(26)25-24-19-7-3-6-18-17(19)5-4-8-23-18/h3-8,15-16,24H,2,9-14H2,1H3,(H,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412166
PNG
(CHEMBL496088)
Show SMILES Cc1ccccc1NNC(=O)C1(C)CCCCC1
Show InChI InChI=1S/C15H22N2O/c1-12-8-4-5-9-13(12)16-17-14(18)15(2)10-6-3-7-11-15/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3,(H,17,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412167
PNG
(CHEMBL454045)
Show SMILES CC(C)CCC(=O)NNc1ccccc1C
Show InChI InChI=1S/C13H20N2O/c1-10(2)8-9-13(16)15-14-12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412165
PNG
(CHEMBL509756)
Show SMILES Cc1ccccc1NNC(=O)CC1CCCCC1
Show InChI InChI=1S/C15H22N2O/c1-12-7-5-6-10-14(12)16-17-15(18)11-13-8-3-2-4-9-13/h5-7,10,13,16H,2-4,8-9,11H2,1H3,(H,17,18)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412150
PNG
(CHEMBL525541)
Show SMILES O=C(NNc1cccc2cnccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C20H23N3O/c24-19(20-9-13-6-14(10-20)8-15(7-13)11-20)23-22-18-3-1-2-16-12-21-5-4-17(16)18/h1-5,12-15,22H,6-11H2,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412163
PNG
(CHEMBL496087)
Show SMILES Cc1ccccc1NNC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-15-9-5-6-12-17(15)20-21-18(22)19(13-7-8-14-19)16-10-3-2-4-11-16/h2-6,9-12,20H,7-8,13-14H2,1H3,(H,21,22)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412169
PNG
(CHEMBL494989)
Show SMILES CC1(C)C(C(=O)NNc2cccc3ncccc23)C1(C)C
Show InChI InChI=1S/C17H21N3O/c1-16(2)14(17(16,3)4)15(21)20-19-13-9-5-8-12-11(13)7-6-10-18-12/h5-10,14,19H,1-4H3,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412147
PNG
(CHEMBL451692)
Show SMILES O=C(NNc1cccc2ncccc12)C12CC3CC1CC(C2)C3 |TLB:19:18:22.20.21:15,THB:19:20:15:17.18|
Show InChI InChI=1S/C19H21N3O/c23-18(19-10-12-7-13(11-19)9-14(19)8-12)22-21-17-5-1-4-16-15(17)3-2-6-20-16/h1-6,12-14,21H,7-11H2,(H,22,23)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in differentiated human THP1 cells assessed as inhibition of benzoyl-ATP-induced IL1...

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412139
PNG
(CHEMBL523385)
Show SMILES Fc1ccc(cc1)C1(CCCCC1)C(=O)NNc1cccc2ncccc12
Show InChI InChI=1S/C22H22FN3O/c23-17-11-9-16(10-12-17)22(13-2-1-3-14-22)21(27)26-25-20-8-4-7-19-18(20)6-5-15-24-19/h4-12,15,25H,1-3,13-14H2,(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412170
PNG
(CHEMBL445485)
Show SMILES Cc1ccccc1NNC(=O)C1CCCCC1
Show InChI InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)15-16-14(17)12-8-3-2-4-9-12/h5-7,10,12,15H,2-4,8-9H2,1H3,(H,16,17)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412148
PNG
(CHEMBL523540)
Show SMILES Clc1ccc2c(NNC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:8:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C20H22ClN3O/c21-18-5-4-15-16(22-18)2-1-3-17(15)23-24-19(25)20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14,23H,6-11H2,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412141
PNG
(CHEMBL521670)
Show SMILES Fc1ccccc1C1(CCCCC1)C(=O)NNc1cccc2ncccc12
Show InChI InChI=1S/C22H22FN3O/c23-18-10-3-2-9-17(18)22(13-4-1-5-14-22)21(27)26-25-20-12-6-11-19-16(20)8-7-15-24-19/h2-3,6-12,15,25H,1,4-5,13-14H2,(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412136
PNG
(CHEMBL495159)
Show SMILES CCCCCCC(=O)NNc1ccccc1C
Show InChI InChI=1S/C14H22N2O/c1-3-4-5-6-11-14(17)16-15-13-10-8-7-9-12(13)2/h7-10,15H,3-6,11H2,1-2H3,(H,16,17)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412169
PNG
(CHEMBL494989)
Show SMILES CC1(C)C(C(=O)NNc2cccc3ncccc23)C1(C)C
Show InChI InChI=1S/C17H21N3O/c1-16(2)14(17(16,3)4)15(21)20-19-13-9-5-8-12-11(13)7-6-10-18-12/h5-10,14,19H,1-4H3,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412158
PNG
(CHEMBL505953)
Show SMILES Fc1ccccc1NNC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C17H21FN2O/c18-14-3-1-2-4-15(14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412152
PNG
(CHEMBL510265)
Show SMILES O=C(NNc1ccccn1)C12CC3CC(CC(C3)C1)C2 |TLB:1:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C16H21N3O/c20-15(19-18-14-3-1-2-4-17-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2,(H,17,18)(H,19,20)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412170
PNG
(CHEMBL445485)
Show SMILES Cc1ccccc1NNC(=O)C1CCCCC1
Show InChI InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)15-16-14(17)12-8-3-2-4-9-12/h5-7,10,12,15H,2-4,8-9H2,1H3,(H,16,17)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412140
PNG
(CHEMBL494815)
Show SMILES Fc1cccc(c1)C1(CCCCC1)C(=O)NNc1cccc2ncccc12
Show InChI InChI=1S/C22H22FN3O/c23-17-8-4-7-16(15-17)22(12-2-1-3-13-22)21(27)26-25-20-11-5-10-19-18(20)9-6-14-24-19/h4-11,14-15,25H,1-3,12-13H2,(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412143
PNG
(CHEMBL524039)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)C(=O)NNc1cccc2ncccc12 |TLB:9:8:4.3.2:6,11:8:4:2.1.6,11:8:4.3.2:6,THB:9:3:6:8.7.10,0:1:4:8.7.9,10:8:4:2.1.6,10:1:4:8.7.9|
Show InChI InChI=1S/C20H23N3O2/c24-18(19-8-13-7-14(9-19)11-20(25,10-13)12-19)23-22-17-5-1-4-16-15(17)3-2-6-21-16/h1-6,13-14,22,25H,7-12H2,(H,23,24)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412159
PNG
(CHEMBL522068)
Show SMILES O=C(NNc1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C17H22N2O/c20-16(19-18-15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,18H,6-11H2,(H,19,20)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412156
PNG
(CHEMBL521882)
Show SMILES Fc1ccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:7:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C17H21FN2O/c18-14-1-3-15(4-2-14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412157
PNG
(CHEMBL498560)
Show SMILES Fc1cccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:8:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C17H21FN2O/c18-14-2-1-3-15(7-14)19-20-16(21)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,19H,4-6,8-10H2,(H,20,21)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412141
PNG
(CHEMBL521670)
Show SMILES Fc1ccccc1C1(CCCCC1)C(=O)NNc1cccc2ncccc12
Show InChI InChI=1S/C22H22FN3O/c23-18-10-3-2-9-17(18)22(13-4-1-5-14-22)21(27)26-25-20-12-6-11-19-16(20)8-7-15-24-19/h2-3,6-12,15,25H,1,4-5,13-14H2,(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412167
PNG
(CHEMBL454045)
Show SMILES CC(C)CCC(=O)NNc1ccccc1C
Show InChI InChI=1S/C13H20N2O/c1-10(2)8-9-13(16)15-14-12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412153
PNG
(CHEMBL496300)
Show SMILES Clc1ccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 |TLB:7:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C17H20Cl2N2O/c18-13-1-2-15(14(19)6-13)20-21-16(22)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,21,22)
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n/an/a 372n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412136
PNG
(CHEMBL495159)
Show SMILES CCCCCCC(=O)NNc1ccccc1C
Show InChI InChI=1S/C14H22N2O/c1-3-4-5-6-11-14(17)16-15-13-10-8-7-9-12(13)2/h7-10,15H,3-6,11H2,1-2H3,(H,16,17)
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n/an/a 407n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412152
PNG
(CHEMBL510265)
Show SMILES O=C(NNc1ccccn1)C12CC3CC(CC(C3)C1)C2 |TLB:1:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C16H21N3O/c20-15(19-18-14-3-1-2-4-17-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2,(H,17,18)(H,19,20)
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n/an/a 427n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412157
PNG
(CHEMBL498560)
Show SMILES Fc1cccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:8:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C17H21FN2O/c18-14-2-1-3-15(7-14)19-20-16(21)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,19H,4-6,8-10H2,(H,20,21)
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n/an/a 468n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412146
PNG
(CHEMBL521858)
Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)NNc1cccc2ncccc12 |TLB:6:7:5.4.10:11,THB:6:5:7.12.8:11,8:7:4:10.9.11,8:9:6.7.12:4|
Show InChI InChI=1S/C21H25N3O/c25-20(13-21-10-14-7-15(11-21)9-16(8-14)12-21)24-23-19-5-1-4-18-17(19)3-2-6-22-18/h1-6,14-16,23H,7-13H2,(H,24,25)
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n/an/a 603n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412151
PNG
(CHEMBL496301)
Show SMILES O=C(NNc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C16H21N3O/c20-15(19-18-14-2-1-3-17-10-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13,18H,4-9H2,(H,19,20)
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n/an/a 832n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412161
PNG
(CHEMBL496498)
Show SMILES COc1ccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:8:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-20-17(21)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,19H,6-11H2,1H3,(H,20,21)
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n/an/a 977n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412151
PNG
(CHEMBL496301)
Show SMILES O=C(NNc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C16H21N3O/c20-15(19-18-14-2-1-3-17-10-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13,18H,4-9H2,(H,19,20)
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n/an/a 977n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412156
PNG
(CHEMBL521882)
Show SMILES Fc1ccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:7:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C17H21FN2O/c18-14-1-3-15(4-2-14)19-20-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,19H,5-10H2,(H,20,21)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50412168
PNG
(CHEMBL444215)
Show SMILES CC1(C)C2CCC1(C(=O)NNc1cccc3ncccc13)C(=O)C2 |THB:22:21:5.4:1|
Show InChI InChI=1S/C19H21N3O2/c1-18(2)12-8-9-19(18,16(23)11-12)17(24)22-21-15-7-3-6-14-13(15)5-4-10-20-14/h3-7,10,12,21H,8-9,11H2,1-2H3,(H,22,24)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412168
PNG
(CHEMBL444215)
Show SMILES CC1(C)C2CCC1(C(=O)NNc1cccc3ncccc13)C(=O)C2 |THB:22:21:5.4:1|
Show InChI InChI=1S/C19H21N3O2/c1-18(2)12-8-9-19(18,16(23)11-12)17(24)22-21-15-7-3-6-14-13(15)5-4-10-20-14/h3-7,10,12,21H,8-9,11H2,1-2H3,(H,22,24)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412143
PNG
(CHEMBL524039)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)C(=O)NNc1cccc2ncccc12 |TLB:9:8:4.3.2:6,11:8:4:2.1.6,11:8:4.3.2:6,THB:9:3:6:8.7.10,0:1:4:8.7.9,10:8:4:2.1.6,10:1:4:8.7.9|
Show InChI InChI=1S/C20H23N3O2/c24-18(19-8-13-7-14(9-19)11-20(25,10-13)12-19)23-22-17-5-1-4-16-15(17)3-2-6-21-16/h1-6,13-14,22,25H,7-12H2,(H,23,24)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))		BDBM50412161
PNG
(CHEMBL496498)
Show SMILES COc1ccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:8:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-20-17(21)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14,19H,6-11H2,1H3,(H,20,21)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay

J Med Chem 51: 3030-4 (2008)


Article DOI: 10.1021/jm701516f
BindingDB Entry DOI: 10.7270/Q2959JR1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%